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Information card for entry 7245127
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Coordinates | 7245127.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5-(4-chlorophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one |
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Formula | C21 H22 Cl N3 O3 |
Calculated formula | C21 H22 Cl N3 O3 |
Title of publication | Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones |
Authors of publication | Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M. |
Journal of publication | RSC Advances |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 29 |
Pages of publication | 18806 - 18820 |
a | 6.1119 ± 0.0017 Å |
b | 12.856 ± 0.003 Å |
c | 13.503 ± 0.002 Å |
α | 74.018 ± 0.01° |
β | 83.479 ± 0.015° |
γ | 76.619 ± 0.015° |
Cell volume | 990.9 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1141 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.2058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7245127.html
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